CID 75525586

2,4-dibromo-6-(2-methoxyethyl)aniline

Structural Information

Molecular Formula
C9H11Br2NO
SMILES
COCCC1=C(C(=CC(=C1)Br)Br)N
InChI
InChI=1S/C9H11Br2NO/c1-13-3-2-6-4-7(10)5-8(11)9(6)12/h4-5H,2-3,12H2,1H3
InChIKey
SWLGYBAQLZOOFJ-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(2-methoxyethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.92075 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.92803 144.8
[M+Na]+ 329.90997 155.6
[M-H]- 305.91347 151.2
[M+NH4]+ 324.95457 163.4
[M+K]+ 345.88391 139.4
[M+H-H2O]+ 289.91801 151.6
[M+HCOO]- 351.91895 161.4
[M+CH3COO]- 365.93460 207.2
[M+Na-2H]- 327.89542 150.6
[M]+ 306.92020 178.8
[M]- 306.92130 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.